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Substance Name: 1-Piperazinecarbodithioic acid, 2,6-dimethyl-4-isopropyl-, sodium salt, hydrate (2:2:3)
RN: 26864-94-8
InChIKey: ZCLWLUFTIRXLEU-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H19-S2.Na.3/2H2-O

Molecular Weight

  • 254.396
 
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Names and Synonyms

Synonym

  • 2,6-Dimethyl-4-isopropyl-1-piperazinecarbodithioic acid sodium salt hydrate (2:2:3)

Systematic Name

  • 1-Piperazinecarbodithioic acid, 2,6-dimethyl-4-isopropyl-, sodium salt, hydrate (2:2:3)

Registry Numbers

CAS Registry Number

  • 26864-94-8

System Generated Number

  • 0026864948

Molecular Formulas

Molecular Formula

  • C10-H19-S2.Na.3/2H2-O

Molecular Formula Fragments

  • C10-H19-S2
  • COMPONENT
  • H2-O
  • Na

Structure Descriptors

InChI

1S/C10H20N2S2.Na/c1-7(2)11-5-8(3)12(10(13)14)9(4)6-11;/h7-9H,5-6H2,1-4H3,(H,13,14);/q;+1/p-1

InChIKey

ZCLWLUFTIRXLEU-UHFFFAOYSA-M

Smiles

[Na+].N1([C@@H](CN(C[C@@H]1C)C(C)C)C)C([S-])=S

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 500mg/kg (500mg/kg)   Acta Pharmaceutica Suecica. Vol. 7, Pg. 7, 1970.